N-(3-hydroxyphenyl)hexadecanamide

C22H37NO2 — CID 10617672

IUPACN-(3-hydroxyphenyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22(25)23-20-16-15-17-21(24)19-20/h15-17,19,24H,2-14,18H2,1H3,(H,23,25)
InChIKeyDAIHFZVAIKIDAN-UHFFFAOYSA-N
MW347.54 g/mol
LogP6.81
Rot. Bonds15

About N-(3-hydroxyphenyl)hexadecanamide

N-(3-hydroxyphenyl)hexadecanamide (PubChem CID 10617672) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)hexadecanamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)hexadecanamide
PubChem CID10617672
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC NameN-(3-hydroxyphenyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22(25)23-20-16-15-17-21(24)19-20/h15-17,19,24H,2-14,18H2,1H3,(H,23,25)
InChIKeyDAIHFZVAIKIDAN-UHFFFAOYSA-N
XLogP6.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)hexadecanamide?
The IUPAC name of N-(3-hydroxyphenyl)hexadecanamide (CID 10617672) is N-(3-hydroxyphenyl)hexadecanamide.
What is the SMILES notation for N-(3-hydroxyphenyl)hexadecanamide?
The canonical SMILES for N-(3-hydroxyphenyl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)hexadecanamide?
The InChIKey is DAIHFZVAIKIDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22(25)23-20-16-15-17-21(24)19-20/h15-17,19,24H,2-14,18H2,1H3,(H,23,25).
What are the key properties of N-(3-hydroxyphenyl)hexadecanamide?
N-(3-hydroxyphenyl)hexadecanamide has a molecular weight of 347.54 g/mol, XLogP of 6.81, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)hexadecanamide is sourced from PubChem (CID 10617672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).